C301-3933 Screening compound: 1-{2-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl}-4-[3-(trifluoromethyl)phenyl]piperazine

C301-3933 Screening compound: 1-{2-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl}-4-[3-(trifluoromethyl)phenyl]piperazine
C301-3933 Screening compound: 1-{2-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl}-4-[3-(trifluoromethyl)phenyl]piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-3933
1-{2-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl}-4-[3-(trifluoromethyl)phenyl]piperazine

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

C301-3933

Molecular Formula

C19H21F3N6 (C19 H21 F3 N6)

Compound Name

1-{2-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl}-4-[3-(trifluoromethyl)phenyl]piperazine

IUPAC name

1-{2-ethyl-5-methyl-[124]triazolo[15-a]pyrimidin-7-yl}-4-[3-(trifluoromethyl)phenyl]piperazine

SMILES

CCc1nn2c(N(CC3)CCN3c3cccc(C(F)(F)F)c3)cc(C)nc2n1

InChI

InChI=1S/C19H21F3N6/c1-3-16-24-18-23-13(2)11-17(28(18)25-16)27-9-7-26(8-10-27)15-6-4-5-14(12-15)19(20,21)22/h4-6,11-12H,3,7-10H2,1-2H3

InChI Key

DUJUYOWMLMMSPU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14743337

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

390.41

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.950

Distribution Coefficient, logD

3.800

Water Solubility, LogSw

-3.92

Polar Surface Area

37.640

Acid Dissociation Constant (pKa)

24.61

Base Dissociation Constant (pKb)

7.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.10

C301-3933 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C301-3933 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-3933?
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What is the minimum amount of C301-3933 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-3933
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-3933
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of C301-3933 available by request